SCHEMBL1318480

SCHEMBL1318480

CCCCC(C(=O)O)N(c1ccc2c(C(=O)NCc3ccc(C(=O)N(C)C)cc3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLA1 P09884 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
HSD11B1 P28845 2/20 0.34
CXCR3 P49682 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1110147 0.94 POLB (0.35) CA12CA9CXCR3POLBLMNA
SCHEMBL1318726 0.89 NAMPT (0.41) SMN1; SMN2LMNAHTTMEN1KMT2A
SCHEMBL1110403 0.88 CA12 (0.36) HDAC2HDAC3HDAC1HDAC6ALDH1A1
SCHEMBL1319987 0.87 HSD11B1 (0.44) ALDH1A1SMN1; SMN2HSD11B1POLBHTT
SCHEMBL1110251 0.86 PLK1 (0.36) SMN1; SMN2CA12CA9POLBMEN1
SCHEMBL1110367 0.86 HTT (0.43) ALDH1A1POLBLMNAHTTMEN1
SCHEMBL1110315 0.85 HTT (0.36) ALDH1A1CA12CA9POLBHTT
SCHEMBL1110197 0.84 LMNA (0.40) ALDH1A1SMN1; SMN2CA12CA9POLB
SCHEMBL1110151 0.83 TP53 (0.41) HDAC2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1321342 0.83 HDAC2 (0.41) HDAC2HDAC3HDAC4HDAC1HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 HDAC2 3017/4885HDAC3 3335/4885HDAC4 3078/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.